2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloro-2-methyl-phenyl)butanamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(5-chloro-2-methylphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(5-chloro-2-methyl-phenyl)butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C21H25ClN2O2S/c1-4-7-20(25)23-16-8-6-9-17(13-16)27-19(5-2)21(26)24-18-12-15(22)11-10-14(18)3/h6,8-13,19H,4-5,7H2,1-3H3,(H,23,25)(H,24,26)